2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid

C11H10N2O6 — CID 66824052

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESO=C(O)C(CN1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)5-6(11(18)19)13-9(16)3-4-10(13)17/h1-2,6H,3-5H2,(H,18,19)
InChIKeyNAURRUGBXLEYBA-UHFFFAOYSA-N
MW266.21 g/mol
LogP-1.49
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid (PubChem CID 66824052) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
PubChem CID66824052
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESO=C(O)C(CN1C(=O)C=CC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)5-6(11(18)19)13-9(16)3-4-10(13)17/h1-2,6H,3-5H2,(H,18,19)
InChIKeyNAURRUGBXLEYBA-UHFFFAOYSA-N
XLogP-1.49
TPSA112.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid (CID 66824052) is 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid is O=C(O)C(CN1C(=O)C=CC1=O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
The InChIKey is NAURRUGBXLEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)5-6(11(18)19)13-9(16)3-4-10(13)17/h1-2,6H,3-5H2,(H,18,19).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid has a molecular weight of 266.21 g/mol, XLogP of -1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid is sourced from PubChem (CID 66824052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).